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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
6PG6-Phosphogluconic acidME639164----
AKG2-Oxoglutaric acidME639156----
CITCitric acidME639155----
FBPFructose 1,6-bisphosphateME639152----
FUMFumaric acidME639157----
G6PGlucose 6-phosphateME639151----
GLCGlucoseME639150----
LACLactic acidME639154----
MALMalic acidME639158----
NADNADME639160----
NADPNADPME639165----
PYRPyruvic acidME639153----
R15BPRibulose 1,5-bisphosphateME639162----
R5PRibose 5-phosphateME639161----
S7PSedoheptulose 7-phosphateME639163----
SUCSuccinic acidME639159----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Ac-OrnN-AcetylornithineME639185----
ADMADimethylarginineME639194----
AlanineAlanineME639167----
alpha-AAAAminoadipic acidME639182----
ArginineArginineME639184----
AsparagineAsparagineME639177----
AspartateAspartic acidME639178----
CitrullineCitrullineME639186----
GlutamateGlutamic acidME639180----
GlutamineGlutamineME639179----
GlycineGlycineME639166----
HistidineHistidineME639181----
IsoleucineIsoleucineME639176----
KynurenineKynurenineME639191----
LeucineLeucineME639175----
Met-SOMethionine sulfoxideME639195----
OrnithineOrnithineME639192----
PhenylalaninePhenylalanineME639183----
ProlineProlineME639169----
PutrescinePutrescineME639173----
SDMASymmetric dimethylarginineME639189----
SerineSerineME639168----
SerotoninSerotoninME639187----
SpermidineSpermidineME639193----
t4-OH-Protrans-4-HydroxyprolineME639174----
TaurineTaurineME639172----
ThreonineThreonineME639171----
TrptophanTryptophanME639190----
TyrosineTyrosineME639188----
ValineValineME639170----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
S1PSphingosine 1-phosphateME639196----


Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
C14:0CAR 14:0ME639197----
C16:0CAR 16:0ME639199----
C16:1CAR 16:1ME639198----
C18:0CAR 18:0ME639202----
C18:1n9Oleic acidME639201----
C18:2n6Linoleic acidME639200----
C20:4n613Z,16Z-Docosadienoic acidME639203----
C22:6n3DHAME639204----


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